1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide

C20H25FN2O3S — CID 99971665

IUPAC1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
SMILESCN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H25FN2O3S/c1-23-12-10-20(11-13-23)26-19-8-4-16(5-9-19)14-22-27(24,25)15-17-2-6-18(21)7-3-17/h2-9,20,22H,10-15H2,1H3
InChIKeyREMCZWGPTJGGBK-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.92
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide (PubChem CID 99971665) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
PubChem CID99971665
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
SMILESCN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H25FN2O3S/c1-23-12-10-20(11-13-23)26-19-8-4-16(5-9-19)14-22-27(24,25)15-17-2-6-18(21)7-3-17/h2-9,20,22H,10-15H2,1H3
InChIKeyREMCZWGPTJGGBK-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
CID 99971373
N-methoxy-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]methanamine
CID 115005034
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72924084
1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
CID 55530270
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
(3S)-1-ethylsulfonyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]piperidine-3-carboxamide
CID 95194802
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 50945290
1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110781232
1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide
CID 110781518

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide (CID 99971665) is 1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide is CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide?
The InChIKey is REMCZWGPTJGGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-23-12-10-20(11-13-23)26-19-8-4-16(5-9-19)14-22-27(24,25)15-17-2-6-18(21)7-3-17/h2-9,20,22H,10-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide is sourced from PubChem (CID 99971665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).